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(3R,5S)-2-Methyl-3-p-tolyl-5-acetoxyisoxazolidine
SpectraBase Compound ID Gbnd1gY3Yg0
InChI InChI=1S/C13H17NO3/c1-9-4-6-11(7-5-9)12-8-13(16-10(2)15)17-14(12)3/h4-7,12-13H,8H2,1-3H3/t12-,13+/m1/s1
InChIKey AJHCEHDICYLENS-OLZOCXBDSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2C6gRS7jptC
Name (3R,5S)-2-Methyl-3-p-tolyl-5-acetoxyisoxazolidine
Alternate Name(s) (3R,5S)-2-methyl-3-(4-methylphenyl)isoxazolidinyl acetate acetic acid[(3R,5S)-2-methyl-3-(4-methylphenyl)-5-isoxazolidinyl]ester acetic acid[(3R,5S)-2-methyl-3-(p-tolyl)isoxazolidin-5-yl]ester [(3R,5S)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidin-5-yl]acetate [(3R,5S)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidin-5-yl]ethanoate [(3R,5S)-2-methyl-3-(p-tolyl)isoxazolidin-5-yl]acetate acetic acid [(3R,5S)-2-methyl-3-(4-methylphenyl)-5-isoxazolidinyl] ester [(3R,5S)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidin-5-yl] acetate [(3R,5S)-2-methyl-3-(p-tolyl)isoxazolidin-5-yl] acetate [(3R,5S)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidin-5-yl] ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-9-4-6-11(7-5-9)12-8-13(16-10(2)15)17-14(12)3/h4-7,12-13H,8H2,1-3H3/t12-,13+/m1/s1
InChIKey AJHCEHDICYLENS-OLZOCXBDSA-N
Molecular Weight 235.283 g/mol
SMILES [C@]1(ON([C@](C1)(c1ccc(cc1)C)[H])C)(OC(=O)C)[H]
SPLASH splash10-014i-0920000000-e3713f3676a88215d9ae
Source of Spectrum F-48-9480-20
Wiley ID 1237157